orbital_charges     :real:2:4,3
  0.173421756385004E+001  0.168107426803797E+001  0.117732175433813E+001
  0.200000000000000E+001  0.703693206886854E+000  0.000000000000000E+000
  0.000000000000000E+000  0.000000000000000E+000  0.703693206887017E+000
  0.000000000000000E+000  0.000000000000000E+000  0.000000000000000E+000
forces              :real:2:3,3
  0.728379656063656E-026  0.198986327415440E-009 -0.600595961852690E-012
 -0.496993804749475E-016 -0.996478594084138E-010 -0.370116520764796E-009
  0.496993804676637E-016 -0.993384402514508E-010  0.370717123665543E-009
mermin_energy       :real:0:
 -0.407793793398691E+001
end_coords          :real:2:3,3
  0.152922994123080E-025 -0.135304391806640E+001  0.417842228284819E-012
 -0.122998217606187E-015 -0.268341035256788E+000  0.147113678816406E+001
  0.122998217590895E-015 -0.268341035255732E+000 -0.147113678816448E+001
